0.2.112

What's Changed

• Fix various edge case bugs raised during training-time cropping by @amorehead in #149

Full Changelog: 0.2.111...0.2.112

0.2.111

What's Changed

• Catch RDKit sanitization errors by @amorehead in #147
• Increase test set's Tanimoto similarity threshold for ligands by @amorehead in #148

Full Changelog: 0.2.109...0.2.111

0.2.109

What's Changed

• Fix missing_atom_mask collation bug by @amorehead in #146

Full Changelog: 0.2.108...0.2.109

0.2.108

What's Changed

• No longer try to coerce label atom IDs during training-time bond installation by @amorehead in #143
• Fix edge case in determining the indices of atom types for atomized Chem.Mol objects by @amorehead in #144
• Fix case where individual chains are sampled by @amorehead in #145

Full Changelog: 0.2.107...0.2.108

0.2.107

Full Changelog: 0.2.106...0.2.107

0.2.106

What's Changed

• Try to block RDKit logs more robustly by @amorehead in #142

Full Changelog: 0.2.105...0.2.106

0.2.105

Full Changelog: 0.2.104...0.2.105

0.2.104

What's Changed

• rename fn by @lucidrains in #140
• Add try-except to cluster_pdb_test_mmcifs.py by @amorehead in #141

Full Changelog: 0.2.101...0.2.104

0.2.101

Full Changelog: 0.2.100...0.2.101

0.2.100

Full Changelog: 0.2.98...0.2.100